1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide

C26H28F2N2O3 — CID 66925843

IUPAC1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccc(F)cc3F)cc(C(=O)NCC(C)(C)C)n1CC2
InChIInChI=1S/C26H28F2N2O3/c1-26(2,3)14-29-25(31)21-12-19(17-7-6-16(27)11-20(17)28)24-18-13-23(33-5)22(32-4)10-15(18)8-9-30(21)24/h6-7,10-13H,8-9,14H2,1-5H3,(H,29,31)
InChIKeyGGUMXLJUFPIVRE-UHFFFAOYSA-N
MW454.52 g/mol
LogP5.45
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide

1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide (PubChem CID 66925843) has the molecular formula C26H28F2N2O3 and a molecular weight of 454.52 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
PubChem CID66925843
Molecular FormulaC26H28F2N2O3
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccc(F)cc3F)cc(C(=O)NCC(C)(C)C)n1CC2
InChIInChI=1S/C26H28F2N2O3/c1-26(2,3)14-29-25(31)21-12-19(17-7-6-16(27)11-20(17)28)24-18-13-23(33-5)22(32-4)10-15(18)8-9-30(21)24/h6-7,10-13H,8-9,14H2,1-5H3,(H,29,31)
InChIKeyGGUMXLJUFPIVRE-UHFFFAOYSA-N
XLogP5.45
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(2,4-difluorophenyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 58147606
N-(2,2-dimethylpropyl)-9-(hydroxymethyl)-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 66925772
N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 66925728
ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 66925895
N-(2,2-dimethylpropyl)-8-methoxy-9-morpholin-4-yl-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 67529321
2-[(4-fluorophenyl)methylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2031880
methyl N-[2-[[3-[tert-butyl(methyl)carbamoyl]-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-9-yl]oxy]ethyl]carbamate
CID 66925703
8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylic acid
CID 57077858
methyl 9-methoxy-8-propan-2-yloxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 11634389
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 66925641
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2,4-difluorobenzenesulfonamide
CID 21092296
ethyl 2-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]-4-hydroxyphenyl]-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 10153087

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide (CID 66925843) is 1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide is COc1cc2c(cc1OC)-c1c(-c3ccc(F)cc3F)cc(C(=O)NCC(C)(C)C)n1CC2.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide?
The InChIKey is GGUMXLJUFPIVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O3/c1-26(2,3)14-29-25(31)21-12-19(17-7-6-16(27)11-20(17)28)24-18-13-23(33-5)22(32-4)10-15(18)8-9-30(21)24/h6-7,10-13H,8-9,14H2,1-5H3,(H,29,31).
What are the key properties of 1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide?
1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(2,2-dimethylpropyl)-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide is sourced from PubChem (CID 66925843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).